UCSF

ZINC51826720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 5.38 -42.94 3 5 1 68 294.35 7
Mid Mid (pH 6-8) 0.30 3.2 -15.6 2 5 0 67 293.342 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )